HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Reaction

Acetic Acid → 1-[(4-Aminoquinazolin-7-yl)methyl]-4-[3-(4-bromofuran-2-yl)prop-2-enyl]piperazin-2-one

HRID 1236469
Notes
Print preview

Reaction equation

HRID 1236469 reaction equation
[Br:23][c:24]1[cH:25][c:26]([CH:29]=[CH:30][CH:31]=[O:32])[o:27][cH:28]1.[C:33]([O:34][BH-:35]([O:36][C:37](=[O:38])[CH3:39])[O:40][C:41](=[O:42])[CH3:43])(=[O:44])[CH3:45].[C:47](#[N:48])[CH3:49].[C:51]([OH:52])(=[O:53])[CH3:54].[CH3:20][C:21]#[N:22].[NH2:1][c:2]1[n:3][cH:4][n:5][c:6]2[cH:7][c:8]([CH2:12][N:13]3[C:14](=[O:19])[CH2:15][NH:16][CH2:17][CH2:18]3)[cH:9][cH:10][c:11]12.[Na+:46].[OH2:50]>>[NH2:1][c:2]1[n:3][cH:4][n:5][c:6]2[cH:7][c:8]([CH2:12][N:13]3[C:14](=[O:19])[CH2:15][N:16]([CH2:31][CH:30]=[CH:29][c:26]4[cH:25][c:24]([Br:23])[cH:28][o:27]4)[CH2:17][CH2:18]3)[cH:9][cH:10][c:11]12
ParticipantsSources & evidenceReaction notes

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 923Sodium IonHCID 962WaterHCID 6342Acetonitrile2×HCID 2724942TriacetoxyborohydrideHCID 179851741-(4-Aminoquinazoline-7-ylmethyl)piperazine-2-oneHCID 54367355CID 54367355

Product 1

HCID 538246631-[(4-Aminoquinazolin-7-yl)methyl]-4-[3-(4-bromofuran-2-yl)prop-2-enyl]piperazin-2-one

Sources & evidence

ORD record
ord-4bae10f3e9d8463994ce6d3d602b198f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

Reaction notes

Loading…

On this pageParticipantsSources & evidenceReaction notes